CID 82558885

1368221-87-7

Structural Information

Molecular Formula

C₁₀H₁₉N₃

SMILES

CC(C)(C)C1=NC=CN1CCCN

InChI

InChI=1S/C10H19N3/c1-10(2,3)9-12-6-8-13(9)7-4-5-11/h6,8H,4-5,7,11H2,1-3H3

InChIKey

SGSUHCLAMDEOMM-UHFFFAOYSA-N

Compound name

3-(2-tert-butylimidazol-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.1579 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.165176	144.4
[M+Na]+	204.147118	152.0
[M-H]-	180.150624	145.0
[M+NH4]+	199.191723	163.6
[M+K]+	220.121058	149.9
[M+H-H2O]+	164.155160	137.5
[M+HCOO]-	226.156101	165.6
[M+CH3COO]-	240.171751	184.8
[M+Na-2H]-	202.132566	149.0
[M]+	181.15735142	144.5
[M]-	181.15844858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.